SCHEMBL90320

SCHEMBL90320

O=C(NC1CC1)c1cc(Cl)nc2ccccc12

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.88
KMT2A Q03164 4/20 0.88
GAA P10253 3/20 0.88
USP2 O75604 1/20 0.64
HTT P42858 1/20 0.64
KDM4E B2RXH2 4/20 0.61
GLA P06280 2/20 0.61
RECQL P46063 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
PKM P14618 1/20 0.61
APEX1 P27695 1/20 0.61
BLM P54132 1/20 0.61
MCL1 Q07820 1/20 0.61
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
KLK7 P49862 1/20 0.59
MEN1 O00255 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31266795 0.91 RAB9A (0.77) RAB9AKMT2AGAAUSP2HTT
SCHEMBL26534108 0.83 RAB9A (0.90) RAB9AKMT2AGAAKDM4EGLA
SCHEMBL11607322 0.82 GAA (0.71) RAB9AKMT2AGAAUSP2HTT
SCHEMBL11607710 0.81 GAA (0.72) RAB9AKMT2AGAAUSP2HTT
Hydrochloric Acid SCHEMBL11632225 0.80 GAA (0.71) RAB9AKMT2AGAAUSP2HTT
SCHEMBL23877039 0.80 RAB9A (0.64) RAB9AKMT2AGAAKDM4EGLA
SCHEMBL31435202 0.80 HTT (0.71) RAB9AKMT2AGAAUSP2HTT
SCHEMBL23575895 0.79 RAB9A (0.62) RAB9AKMT2AGAAKDM4EGLA
SCHEMBL19701306 0.79 RAB9A (0.62) RAB9AKMT2AGAAKDM4EGLA
SCHEMBL31715950 0.79 RAB9A (0.61) RAB9AKMT2AGAAUSP2HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 RAB9A 500/4885KMT2A 3129/4885GAA 309/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.